2-[[benzyl(methyl)amino]methyl]-1,1-dioxo-1,2-thiazolidin-3-one

C12H16N2O3S — CID 160794554

IUPAC2-[[benzyl(methyl)amino]methyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCN(Cc1ccccc1)CN1C(=O)CCS1(=O)=O
InChIInChI=1S/C12H16N2O3S/c1-13(9-11-5-3-2-4-6-11)10-14-12(15)7-8-18(14,16)17/h2-6H,7-10H2,1H3
InChIKeySCGOSOSHQZGBSC-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.64
Rot. Bonds4

About 2-[[benzyl(methyl)amino]methyl]-1,1-dioxo-1,2-thiazolidin-3-one

2-[[benzyl(methyl)amino]methyl]-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 160794554) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[[benzyl(methyl)amino]methyl]-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-[[benzyl(methyl)amino]methyl]-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID160794554
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-[[benzyl(methyl)amino]methyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCN(Cc1ccccc1)CN1C(=O)CCS1(=O)=O
InChIInChI=1S/C12H16N2O3S/c1-13(9-11-5-3-2-4-6-11)10-14-12(15)7-8-18(14,16)17/h2-6H,7-10H2,1H3
InChIKeySCGOSOSHQZGBSC-UHFFFAOYSA-N
XLogP0.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 163328136
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CID 3014812
N-benzyl-N-methyl-2-[(2R)-oxiran-2-yl]ethanamine;N-benzyl-N-methyl-2-[(2S)-oxiran-2-yl]ethanamine
CID 161280376
(5S)-3-[[benzyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 9184509
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
9-[benzyl(methyl)amino]nonane-1-thiol
CID 105344021
3-[[benzyl(methyl)amino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4215276
1-[2-[benzyl(methyl)amino]ethyl]cyclopentan-1-amine
CID 64678874
magnesium;N-benzyl-N-methylpropan-1-amine;chloride
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CID 176893860
CID 176893860

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(methyl)amino]methyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-[[benzyl(methyl)amino]methyl]-1,1-dioxo-1,2-thiazolidin-3-one (CID 160794554) is 2-[[benzyl(methyl)amino]methyl]-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-[[benzyl(methyl)amino]methyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-[[benzyl(methyl)amino]methyl]-1,1-dioxo-1,2-thiazolidin-3-one is CN(Cc1ccccc1)CN1C(=O)CCS1(=O)=O.
What is the InChIKey of 2-[[benzyl(methyl)amino]methyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is SCGOSOSHQZGBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-13(9-11-5-3-2-4-6-11)10-14-12(15)7-8-18(14,16)17/h2-6H,7-10H2,1H3.
What are the key properties of 2-[[benzyl(methyl)amino]methyl]-1,1-dioxo-1,2-thiazolidin-3-one?
2-[[benzyl(methyl)amino]methyl]-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 268.34 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(methyl)amino]methyl]-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 160794554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).